Search Results - "KANDEMIRLI, Fatma"
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Synthesis and characterization of poly(3-hexylthiophene): improvement of regioregularity and energy band gap
Published in RSC advances (01-01-2018)“…The organic solar cell (OSC) is a current hot topic in the context of energy related issues in order to capture energy in an economic and environmentally…”
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A theoretical study on 1H-indole-2,3-dione complexes with lithium, sodium, and potassium cations
Published in Journal of molecular modeling (01-04-2024)“…Context A comparative study of the change in different properties of electronic and structural of the free 1H-indole-2,3-dione molecule and its complexes has…”
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Corrosion Inhibition Potential of Dithiohydrazodicarbonamide Derivatives for Mild Steel in Acid Media: Synthesis, Experimental, DFT, and Monte Carlo Studies
Published in Arabian journal for science and engineering (2011) (01-05-2022)“…In the present work, new compounds, namely 2-fluoro phenyl-2,5-dithiohydrazodicarbonamide (2FPDC) and 4-fluoro phenyl-2,5-dithiohydrazodicarbonamide (4FPDC),…”
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4
Theoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic medium
Published in International journal of quantum chemistry (15-11-2010)“…Density functional theory (DFT) at the B3LYP/6‐31G (d,p) and BP86/CEP‐31G* basis set levels and ab initio calculations using the RHF/6‐31G (d,p) methods were…”
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5
Carbazochrome carbon nanotube as drug delivery nanocarrier for anti-bleeding drug: quantum chemical study
Published in Journal of molecular modeling (01-01-2022)“…The interaction between drugs and single-walled carbon nanotubes is proving to be of fundamental interest for drug system of delivery and nano-bio-sensing. In…”
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Theoretical B3LYP Study on Electronic Structure of Contrast Agent Iopamidol
Published in Acta chimica Slovenica (01-06-2021)“…Nonionic low-osmolar contrast agents are thought about safe for intravenous or intra-arterial administration. Iopamidol is one of the contrast agents used for…”
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Solvatochromism and Optoelectronic Properties of Thiosemicarbazone Derivatives Having π-Conjugated Systems
Published in Journal of solution chemistry (01-05-2023)“…The electronic structures, solvatochromism, and LSER (Linear Solvation Energy Relationship) properties of thiosemicarbazone derivatives having five different π…”
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Anodic and Cathodic preparation of MnO2/Co2O3 Composite Electrode Anodes for Electro-Oxidation of Phenol
Published in Iraqi Journal of Chemical and Petroleum Engineering (Online) (30-12-2023)“… The economical and highly performed anode material is the critical factor affecting the efficiency of electro-oxidation toward organics. The present study…”
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Monitoring corrosion and corrosion control of iron in HCl by non-ionic surfactants of the TRITON-X series – Part II. Temperature effect, activation energies and thermodynamics of adsorption
Published in Corrosion science (01-02-2011)“…► TX-305 exhibits inhibiting properties for iron corrosion more than TX-165 and TX 100. ► Inhibition efficiency increases with temperature, suggesting chemical…”
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10
Blood vessel segmentation and extraction using H-minima method based on image processing techniques
Published in Multimedia tools and applications (2021)“…In this paper, the H-minima transform is used for blood vessel segmentation. The aim of this study is to get the high accuracy of blood vessel segmentation in…”
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11
The effect of temperature and concentration on the inhibition of acid corrosion of carbon steel by newly synthesized Schiff base
Published in Journal of industrial and engineering chemistry (Seoul, Korea) (25-07-2015)“…Inhibition effect of Schiff base namely 1-(2-hydroxybenzylidene)-3-(2,5-dioxoimidazolidin-4-yl) urea (ALS) was studied on carbon steel corrosion in 1.0M HCl by…”
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12
Molecular Modeling of Biofuel Cells of BN Nanotube-FAD Structure
Published in Russian Journal of Physical Chemistry A (01-04-2022)“…Boron nitride nanotube (BNNT) joint to Flavin adenine dinucleotide (FAD) makes a nano-biofuel cell due to the direct electron transfer principle which has been…”
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13
Quantum Chemical Calculations on Two Compounds of Proquazone and Proquazone Type Calcites as a Calcium Sensing Receptor (CaSR) Inhibitory Profiles
Published in Russian journal of bioorganic chemistry (01-05-2021)“…— A quantum chemical study was done on two compounds of proquazone and proquazone type calcilytics (6-methoxy-1-(propan-2-yl)-4-[4-(propan-2-yl)phenyl]-1,2…”
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Synthesis and structure-antituberculosis activity relationship of 1H-indole-2,3-dione derivatives
Published in Bioorganic & medicinal chemistry (01-09-2007)“…New series of 5-fluoro-1H-indole-2,3-dione-3-thiosemicarbazones 2a-k and 5-fluoro-1-morpholino/piperidinomethyl-1H-indole-2,3-dione-3-thiosemicarbazones 3a-r…”
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DFT Study Adsorption of Hydroxychloroquine for Treatment COVID-19 by SiC Nanotube and Al, Si Doping on Carbon Nanotube Surface: A Drug Delivery Simulation
Published in Russian Journal of Physical Chemistry A (01-12-2022)“…This study aims to investigate the capability of aluminum-doped nanotubes, silicon-doped nanotubes, and silicon carbide nanotubes to adsorb Hydroxychloroquine…”
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Synthesis of Cyano-Benzylidene Xanthene Synthons Using a Diprotic Brønsted Acid Catalyst, and Their Application as Efficient Inhibitors of Aluminum Corrosion in Alkaline Solutions
Published in Molecules (Basel, Switzerland) (01-09-2022)“…Novel cyano-benzylidene xanthene derivatives were synthesized using one-pot and condensation reactions. A diprotic Brønsted acid (i.e., oxalic acid) was used…”
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Corrosion behaviour of new oxo-pyrimidine derivatives on mild steel in acidic media: Experimental, surface characterization, theoretical, and Monte Carlo studies
Published in Applied surface science advances (01-02-2022)“…In this work, the effects of new compounds, namely, 1-amino-5-(4-methylbenzoyl)-4-(4-methylphenyl) pyrimidin-2 (1H)-thione (AMMP), and…”
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1,3,4-Thiadiazole Derivatives. Synthesis, Structure Elucidation, and Structure−Antituberculosis Activity Relationship Investigation
Published in Journal of medicinal chemistry (30-12-2004)“…A series of 2,5-disubstituted-1,3,4-thiadiazoles were synthesized, the compounds structures were elucidated and screened for the antituberculosis activity…”
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Erratum to: Quantum Chemical Calculations on Two Compounds of Proquazone and Proquazone Type Calcites as a Calcium Sensing Receptor (CaSR) Inhibitory Profiles
Published in Russian journal of bioorganic chemistry (2021)“…An Erratum to this paper has been published: https://doi.org/10.1134/S106816202134001X…”
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A comparative density functional theory study of BMSF-BENZ chemisorption on Zn12O12, Al12P12 nanocages
Published in Fìzika ì hìmìâ tverdogo tìla (Online) (13-03-2022)“…In this paper, density functional theory (DFT) study was applied to the absorption of BMSF-BENZ ((4-bromo-7-methoxy-1-(2-methoxyethyl)-5-{[3…”
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